# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/04e05a26-a52c-416a-86dd-393d437047c2/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for Mg3B7ClO13 / Pca2_1 (29) / materials id 23087](https://mdr.nims.go.jp/datasets/021607aa-6c05-4259-b8dd-a4245997deaf) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pca2_1" number: 29 Hall_symbol: "P 2c -2ac"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.565231989999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.558046770000001, 0.000000000000000 ] # b - 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